SCHEMBL8597600

SCHEMBL8597600

C=Cc1cc(OCC)ccc1N(C)C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NQO1 P15559 1/20 0.42
▸ ALDH1A1 P00352 5/20 0.39
▸ KDM4E B2RXH2 2/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ KMT2A Q03164 4/20 0.37
▸ MEN1 O00255 3/20 0.37
▸ NPC1 O15118 1/20 0.37
▸ APOBEC3G Q9HC16 1/20 0.37
▸ TSHR P16473 2/20 0.36
▸ TDP1 Q9NUW8 1/20 0.36
▸ TP53 P04637 2/20 0.36
▸ CYP3A4 P08684 2/20 0.36
▸ MAPT P10636 3/20 0.36
▸ HSD17B10 Q99714 2/20 0.36
▸ ESR2 Q92731 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ HTT P42858 1/20 0.35
▸ TERT O14746 1/20 0.35
▸ ABCB11 O95342 1/20 0.35
▸ LMNA P02545 1/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL8594945 0.87 NQO1 (0.42) NQO1ALDH1A1KDM4ESMN1; SMN2KMT2A
SCHEMBL16959829 0.77 NQO1 (0.46) NQO1ALDH1A1KDM4ESMN1; SMN2KMT2A
SCHEMBL8173931 0.77 NQO1 (0.46) NQO1ALDH1A1KDM4EKMT2AMEN1
SCHEMBL8905764 0.76 NQO1 (0.45) NQO1ALDH1A1KDM4EKMT2AMEN1
SCHEMBL16951834 0.76 NQO1 (0.45) NQO1ALDH1A1KDM4ESMN1; SMN2KMT2A
SCHEMBL16956264 0.76 NQO1 (0.45) NQO1ALDH1A1SMN1; SMN2KMT2AMEN1
SCHEMBL16961306 0.76 NQO1 (0.45) NQO1ALDH1A1KMT2AMEN1NPC1
SCHEMBL6673034 0.76 ALDH1A1 (0.45) NQO1ALDH1A1KDM4EKMT2AMEN1
SCHEMBL16310074 0.76 NQO1 (0.45) NQO1ALDH1A1KDM4ESMN1; SMN2KMT2A
SCHEMBL16960957 0.75 TUBB1 (0.46) NQO1KDM4ESMN1; SMN2KMT2ATSHR

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0561379-B1 Filter medium having a limited surface negative charge for treating a blood material ASAHI MEDICAL CO (JP) 1998-07-08 — — EP disclosed
EP-0561379-A1 Filter medium having a limited surface negative charge for treating a blood material ASAHI MEDICAL Co., Ltd. (JP) 1993-09-22 — — EP disclosed
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